2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid

Systemtic Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Openeye Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid CAS Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid IUPAC Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3H-pyrazole-1-carboxylic acid Traditional Name: 2-(3-cyanophenyl)-4-methoxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid Formula: C13H10F3N3O3 MolecularWeight: 313.23201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(N(C1)C2=CC=CC(=C2)C#N)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=C(N(N(C1)C2=CC=CC(=C2)C#N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O3/c1-22-10-7-18(9-4-2-3-8(5-9)6-17)19(12(20)21)11(10)13(14,15)16/h2-5H,7H2,1H3,(H,20,21)